2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid

C15H20N2O4 — CID 103428848

IUPAC2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid
SMILESCCN(CC(=O)NC)C(=O)c1c(C)ccc(C)c1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-5-17(8-11(18)16-4)14(19)12-9(2)6-7-10(3)13(12)15(20)21/h6-7H,5,8H2,1-4H3,(H,16,18)(H,20,21)
InChIKeyYDRGWYGZCFMIFL-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.21
Rot. Bonds5

About 2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid

2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid (PubChem CID 103428848) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid
PubChem CID103428848
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid
SMILESCCN(CC(=O)NC)C(=O)c1c(C)ccc(C)c1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-5-17(8-11(18)16-4)14(19)12-9(2)6-7-10(3)13(12)15(20)21/h6-7H,5,8H2,1-4H3,(H,16,18)(H,20,21)
InChIKeyYDRGWYGZCFMIFL-UHFFFAOYSA-N
XLogP1.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid?
The IUPAC name of 2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid (CID 103428848) is 2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid.
What is the SMILES notation for 2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid?
The canonical SMILES for 2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid is CCN(CC(=O)NC)C(=O)c1c(C)ccc(C)c1C(=O)O.
What is the InChIKey of 2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid?
The InChIKey is YDRGWYGZCFMIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-5-17(8-11(18)16-4)14(19)12-9(2)6-7-10(3)13(12)15(20)21/h6-7H,5,8H2,1-4H3,(H,16,18)(H,20,21).
What are the key properties of 2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid?
2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid is sourced from PubChem (CID 103428848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).